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Benzyl (2S,3aR,4S,7aS)-4-[(tert-Butoxycarbonyl)amino]-2-(furan-2-yl)-2,3,3a,4,5,7a-hexahydro-1H-indole-1-carboxylate
SpectraBase Compound ID FZV9xxRJ4p
InChI InChI=1S/C25H30N2O5/c1-25(2,3)32-23(28)26-19-11-7-12-20-18(19)15-21(22-13-8-14-30-22)27(20)24(29)31-16-17-9-5-4-6-10-17/h4-10,12-14,18-21H,11,15-16H2,1-3H3,(H,26,28)/t18-,19+,20+,21+/m1/s1
InChIKey XUXIILAQKJRTTM-ANULTFPQSA-N
Mol Weight 438.52 g/mol
Molecular Formula C25H30N2O5
Exact Mass 438.215472 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9Nz6sMPN8y3
Name Benzyl (2S,3aR,4S,7aS)-4-[(tert-Butoxycarbonyl)amino]-2-(furan-2-yl)-2,3,3a,4,5,7a-hexahydro-1H-indole-1-carboxylate
Alternate Name(s) (2S,3aR,4S,7aS)-2-(2-furanyl)-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2,3,3a,4,5,7a-hexahydroindole-1-carboxylic acid (phenylmethyl) ester benzyl (2S,3aR,4S,7aS)-2-(furan-2-yl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3,3a,4,5,7a-hexahydroindole-1-carboxylate benzyl (2S,3aR,4S,7aS)-4-(tert-butoxycarbonylamino)-2-(2-furyl)-2,3,3a,4,5,7a-hexahydroindole-1-carboxylate (phenylmethyl) (2S,3aR,4S,7aS)-2-(furan-2-yl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3,3a,4,5,7a-hexahydroindole-1-carboxylate
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Formula C25H30N2O5
InChI InChI=1S/C25H30N2O5/c1-25(2,3)32-23(28)26-19-11-7-12-20-18(19)15-21(22-13-8-14-30-22)27(20)24(29)31-16-17-9-5-4-6-10-17/h4-10,12-14,18-21H,11,15-16H2,1-3H3,(H,26,28)/t18-,19+,20+,21+/m1/s1
InChIKey XUXIILAQKJRTTM-ANULTFPQSA-N
Molecular Weight 438.524 g/mol
SMILES N(C(OC(C)(C)C)=O)[C@@]1([C@@]2([C@@](N([C@@](C2)(c2occc2)[H])C(OCc2ccccc2)=O)(C=CC1)[H])[H])[H]
SPLASH splash10-0007-9273100000-3d62f0286d8021c2ad43
Source of Spectrum U1-2011-6565-32
Wiley ID 1703049